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Updated: Jul 7, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
A gas-phase study of the preferential solvation of Mn(2+) in mixed water/methanol clusters
Bridgette J Duncombe1, Jens O S Rydén, Ljilijana Puskar
1Department of Physical Chemistry, School of Chemistry, University of Nottingham, University Park, Nottingham, UK.
Abstract:
The kinetic shift that exists between two competing unimolecular fragmentation processes has been used to establish whether or not gas-phase Mn(2+) exhibits preferential solvation when forming mixed clusters with water and methanol. Supported by molecular orbital calculations, these first results for a metal dication demonstrate that Mn(2+) prefers to be solvated by methanol in the primary solvation shell.
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